1201187-44-1|tert-Butyl (5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)carbamate| Ambeed

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CAS No. :	1201187-44-1
Formula :	C₁₈H₂₀N₄O₄S
M.W :	388.44
SMILES Code :	O=C(OC(C)(C)C)NC1=CN=C(N(S(=O)(C2=CC=C(C)C=C2)=O)C=C3)C3=N1
MDL No. :	MFCD28129728
InChI Key :	NTMJGYRFMXFNIC-UHFFFAOYSA-N
Pubchem ID :	58009783

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H317
Precautionary Statements:	P280

Yield	Reaction Conditions	Operation in experiment
75%	With palladium diacetate; potassium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 105℃; for 2.5h;	To a solution of <strong>[1201186-54-0]2-bromo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine</strong> (624 mg, 1.77 mmol) in1,4-dioxane (10 mL) were added tert-butyl carbamate (311 mg, 2.65 mmol), potassium carbonate(734 mg, 5.31 mmol), xantphos (209 mg, 0.35 mmol) and palladium acetate (41 mg, 0.17 mmol).The mixture was heated to 105 oc and stirred for 2.5 h. The reaction mixture was concentrated invacuo and the residue was purified by silica gel column chromatography (PE/EtOAc (v/v) = 1011)to give the title compound as a white solid (513 mg, 75 %).
75%	With palladium diacetate; potassium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 105℃; for 2.5h;Inert atmosphere;	2-Bromo-5-(p-toluenesulfonyl)pyrrolo[2,3-b]pyrazine (624 mg, 1.77 mmol) was dissolved in 1,4-dioxane (10 mL).Add tert-butyl carbamic acid (311 mg, 2.65 mmol), potassium carbonate (734 mg, 5 · 31 mmol),Xantphos (209mg, 0.35mmol)And palladium acetate 41 mg, 0.17 mmol), and the resulting mixture was heated to 105 C under a nitrogen atmosphere and stirred for 2.5 hours.The reaction solution was concentrated under reduced pressure.The residue obtained was subjected to silica gel column chromatography(PE/EtOAc (nu/nu) =10/1) purified,The title compound was obtained as a white solid (513 mg, 75%).
71%	With C36H26OP2Pd(2+)2C2H3O2(1-); caesium carbonate; In 1,4-dioxane; at 100℃; for 15h;Inert atmosphere;	Under the protection of nitrogen will be 10 mmol B - 2 dissolved in 30 ml dioxane, adding Cs2CO315 Mmol, adding catalyst Xanphos - Pd (OAc)2Complex 0.3 mmol, tert-butyl carbamate 15 mmol, 100 C reaction 15 h after, the reaction mixture of ethyl acetate extraction 2 time, the combined ethyl acetate after drying, after recovering ethyl acetate, petroleum ether ethyl acetate crystallization (5:1), the obtained product is 2.74 g, yield 71%,

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Disposal
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CAS No.: 1201187-44-1

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CAS No.: 1201187-44-1

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed